Abstract
We have implemented a system termed Interactive Molecular Dynamics (IMD), which permits manipulation of molecules in molecular dynamics simulations with real-time force feedback and graphical display. Communication is achieved through an efficient socket connection between the visualization program (VMD) and a molecular dynamics program (NAMD) running on single or multiple machines. A natural force feedback interface for molecular steering is provided by a haptic device. We model the effect of simulation speed on the haptic feedback, and discuss results of an IMD study of a 4,000 atom system, the gramicidin A channel.
| Original language | English (US) |
|---|---|
| Title of host publication | Proceedings of the Symposium on Interactive 3D Graphics |
| Pages | 191-194 |
| Number of pages | 4 |
| State | Published - 2001 |
| Event | 2001 Symposium on Interactive 3D Graphics - Research Triangle Park, NC, United States Duration: Mar 19 2001 → Mar 21 2001 |
Other
| Other | 2001 Symposium on Interactive 3D Graphics |
|---|---|
| Country/Territory | United States |
| City | Research Triangle Park, NC |
| Period | 3/19/01 → 3/21/01 |
Keywords
- Haptic Feedback
- Molecular Dynamics
- Steered Molecular Dynamics
ASJC Scopus subject areas
- Computer Science(all)